ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate

C9H15N3O2 — CID 14590585

IUPACethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C(C)C)nc1N
InChIInChI=1S/C9H15N3O2/c1-4-14-9(13)7-5-12(6(2)3)11-8(7)10/h5-6H,4H2,1-3H3,(H2,10,11)
InChIKeyOMJHZSOAUISRHI-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.22
Rot. Bonds3

About ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate

ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate (PubChem CID 14590585) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate
PubChem CID14590585
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C(C)C)nc1N
InChIInChI=1S/C9H15N3O2/c1-4-14-9(13)7-5-12(6(2)3)11-8(7)10/h5-6H,4H2,1-3H3,(H2,10,11)
InChIKeyOMJHZSOAUISRHI-UHFFFAOYSA-N
XLogP1.22
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate (CID 14590585) is ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate is CCOC(=O)c1cn(C(C)C)nc1N.
What is the InChIKey of ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate?
The InChIKey is OMJHZSOAUISRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-14-9(13)7-5-12(6(2)3)11-8(7)10/h5-6H,4H2,1-3H3,(H2,10,11).
What are the key properties of ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate?
ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate has a molecular weight of 197.24 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1-propan-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 14590585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).